HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=91",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=89",
"results": [
{
"id": "jvasp-58383",
"created_at": "2022-09-04T14:37:30.461438Z",
"updated_at": "2022-09-04T14:37:30.461467Z",
"structure_string": "Al1 F3\n1.0\n3.627095 -0.000000 0.000000\n0.000000 3.627095 0.000000\n-0.000000 -0.000000 3.627095\nAl F\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.499999 F\n0.000000 0.499999 0.000000 F\n0.499999 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.9223441483301116,
"density_atomic": 0.08382686014264129,
"volume": 47.71740219296689,
"volume_molar": 7.184022817689482,
"formula_full": "Al1 F3",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0040199999999999,
"spacegroup": 221
},
{
"id": "jvasp-101535",
"created_at": "2022-09-04T14:36:44.997108Z",
"updated_at": "2022-09-04T14:36:44.997128Z",
"structure_string": "Al2 F6\n1.0\n3.621933 -0.059969 0.055761\n0.048166 4.754637 2.244572\n-0.085835 0.113093 5.914418\nAl F\n2 6\ndirect\n0.000003 0.365660 0.268493 Al\n-0.000001 0.634340 0.731507 Al\n0.000001 -0.000000 0.500000 F\n0.000001 0.500000 0.500000 F\n0.500006 0.637692 0.724914 F\n0.499996 0.362307 0.275085 F\n-0.000284 0.723052 0.000159 F\n0.000286 0.276948 0.999841 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.761748390492924,
"density_atomic": 0.07922020279894273,
"volume": 100.98434133403616,
"volume_molar": 7.6017739758681495,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0133924999999999,
"spacegroup": 65
},
{
"id": "jvasp-59483",
"created_at": "2022-09-04T14:37:37.404088Z",
"updated_at": "2022-09-04T14:37:37.404109Z",
"structure_string": "Al16 F48\n1.0\n10.303533 0.000000 -0.000000\n-0.000000 10.303533 -0.000000\n0.000000 -0.000000 7.256549\nAl F\n16 48\ndirect\n0.000000 0.836227 0.671783 Al\n0.250000 0.750000 0.000000 Al\n0.250000 0.250000 0.000000 Al\n0.750000 0.750000 0.000000 Al\n0.500000 0.000000 0.909041 Al\n0.000000 0.500000 0.090959 Al\n0.500000 0.000000 0.412881 Al\n0.000000 0.500000 0.587119 Al\n0.750000 0.250000 0.000000 Al\n0.500000 0.336227 0.328217 Al\n0.500000 0.663772 0.328217 Al\n0.836227 0.000000 0.328217 Al\n0.336227 0.500000 0.671783 Al\n0.663772 0.500000 0.671783 Al\n0.000000 0.163773 0.671783 Al\n0.163773 0.000000 0.328217 Al\n0.301448 0.627472 0.837206 F\n0.127472 0.801448 0.837206 F\n0.872528 0.198552 0.837206 F\n0.698552 0.627472 0.837206 F\n0.627472 0.698552 0.162794 F\n0.801448 0.127472 0.162794 F\n0.372528 0.301448 0.162794 F\n0.127472 0.198552 0.837206 F\n0.301448 0.372528 0.837206 F\n0.872528 0.801448 0.837206 F\n0.500000 0.000000 0.662215 F\n0.198552 0.127472 0.162794 F\n0.801448 0.872528 0.162794 F\n0.627472 0.301448 0.162794 F\n0.372528 0.698552 0.162794 F\n0.500000 0.000000 0.158778 F\n0.000000 0.500000 0.841222 F\n0.198552 0.872528 0.162794 F\n0.000000 0.500000 0.337785 F\n0.326435 0.000000 0.411487 F\n0.500000 0.173565 0.411487 F\n0.698552 0.372528 0.837206 F\n0.128845 0.628845 0.091345 F\n0.673565 0.000000 0.411487 F\n0.871155 0.628845 0.091345 F\n0.000000 0.000000 0.755732 F\n0.500000 0.500000 0.755732 F\n0.500000 0.500000 0.244268 F\n0.000000 0.000000 0.244268 F\n0.623504 0.376495 0.500000 F\n0.876495 0.876495 0.500000 F\n0.123505 0.123505 0.500000 F\n0.376495 0.623504 0.500000 F\n0.876495 0.123505 0.500000 F\n0.623504 0.623504 0.500000 F\n0.376495 0.376495 0.500000 F\n0.123505 0.876495 0.500000 F\n0.000000 0.673565 0.588513 F\n0.000000 0.326435 0.588513 F\n0.826434 0.500000 0.588513 F\n0.500000 0.826434 0.411487 F\n0.173565 0.500000 0.588513 F\n0.371155 0.128845 0.908655 F\n0.628845 0.871155 0.908655 F\n0.628845 0.128845 0.908655 F\n0.128845 0.371155 0.091345 F\n0.871155 0.371155 0.091345 F\n0.371155 0.871155 0.908655 F\n",
"nsites": 64,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.8961807911490056,
"density_atomic": 0.08307636945025115,
"volume": 770.3755041718006,
"volume_molar": 7.248921444028984,
"formula_full": "Al16 F48",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0073349999999998,
"spacegroup": 129
},
{
"id": "jvasp-57539",
"created_at": "2022-09-04T14:37:08.830257Z",
"updated_at": "2022-09-04T14:37:08.830267Z",
"structure_string": "Al6 F18\n1.0\n6.964331 0.016662 0.000000\n-3.466496 6.040330 0.000000\n0.000000 0.000000 7.138501\nAl F\n6 18\ndirect\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.420698 0.210743 0.466271 F\n0.214376 0.785623 0.461766 F\n0.789257 0.579301 0.033729 F\n0.214376 0.785623 0.038234 F\n0.785623 0.214377 0.961766 F\n0.554719 0.005170 0.250000 F\n0.785623 0.214377 0.538234 F\n0.789257 0.579301 0.466271 F\n0.005170 0.554719 0.750000 F\n0.420698 0.210743 0.033729 F\n0.529360 0.470640 0.750000 F\n0.994830 0.445280 0.250000 F\n0.579301 0.789257 0.966271 F\n0.210742 0.420698 0.966271 F\n0.470639 0.529360 0.250000 F\n0.445280 0.994830 0.750000 F\n0.579301 0.789257 0.533729 F\n0.210742 0.420698 0.533729 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.782379849844911,
"density_atomic": 0.0798120121033417,
"volume": 300.7066150509333,
"volume_molar": 7.545406513749396,
"formula_full": "Al6 F18",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0053999999999998,
"spacegroup": 63
},
{
"id": "jvasp-61470",
"created_at": "2022-09-04T14:35:41.776343Z",
"updated_at": "2022-09-04T14:35:41.776374Z",
"structure_string": "Al2 F6\n1.0\n4.437723 -2.433986 0.035187\n4.437733 2.434001 0.035208\n3.071131 0.000023 4.023355\nAl F\n2 6\ndirect\n0.999947 0.000010 0.000043 Al\n0.499946 0.500012 0.500041 Al\n0.848968 0.250028 0.651019 F\n0.249964 0.650993 0.849061 F\n0.650923 0.849031 0.250057 F\n0.150923 0.749994 0.349066 F\n0.749931 0.349029 0.151023 F\n0.348969 0.150993 0.750026 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 3.2283233462731338,
"density_atomic": 0.09260381252423666,
"volume": 86.38953172588015,
"volume_molar": 6.5031240030467,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-51430",
"created_at": "2022-09-04T14:37:15.226418Z",
"updated_at": "2022-09-04T14:37:15.226427Z",
"structure_string": "Al2 F6\n1.0\n3.549898 -0.652911 -0.390818\n1.036150 5.143011 0.543337\n0.982850 1.907036 5.525837\nAl F\n2 6\ndirect\n0.305776 0.558002 0.520328 Al\n0.305657 0.827707 0.982891 Al\n0.305709 0.192859 0.751605 F\n0.305722 0.692861 0.751608 F\n0.805672 0.831157 -0.023635 F\n0.805762 0.554579 0.526855 F\n0.303683 0.914741 0.252377 F\n0.307747 0.470959 0.250838 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.739600277396196,
"density_atomic": 0.07858488858379675,
"volume": 101.80074240952099,
"volume_molar": 7.663230003282963,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0167399999999999,
"spacegroup": 65
},
{
"id": "jvasp-110617",
"created_at": "2022-09-04T14:38:39.197636Z",
"updated_at": "2022-09-04T14:38:39.197657Z",
"structure_string": "Al2 F6\n1.0\n4.724070 -0.070839 -8.270064\n0.023178 3.628855 -0.020161\n0.000187 0.030691 5.928065\nAl F\n2 6\ndirect\n0.558367 0.305707 0.038025 Al\n0.827345 0.305725 0.844473 Al\n0.192865 0.305714 0.441247 F\n0.692871 0.305711 0.941272 F\n0.830699 0.805722 0.854365 F\n0.555007 0.805712 0.028131 F\n0.915171 0.305512 0.663365 F\n0.470543 0.305927 0.219134 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.7440140004268394,
"density_atomic": 0.07871149535028915,
"volume": 101.63699678678016,
"volume_molar": 7.650903763420722,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0156924999999998,
"spacegroup": 65
},
{
"id": "jvasp-7957",
"created_at": "2022-09-04T14:36:34.214952Z",
"updated_at": "2022-09-04T14:36:34.214965Z",
"structure_string": "Al1 Fe3\n1.0\n3.509389 -0.000000 2.026147\n1.169797 3.308684 2.026147\n-0.000000 -0.000000 4.052293\nAl Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.499999 0.500000 Fe\n0.250000 0.250000 0.250000 Fe\n0.750001 0.749999 0.750000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 6.864643516053132,
"density_atomic": 0.08501045686442099,
"volume": 47.05303497403153,
"volume_molar": 7.083999994970521,
"formula_full": "Al1 Fe3",
"formula_reduced": "AlFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.944307325,
"spacegroup": 225
},
{
"id": "jvasp-37941",
"created_at": "2022-09-04T14:38:09.963687Z",
"updated_at": "2022-09-04T14:38:09.963729Z",
"structure_string": "Al6 Fe2\n1.0\n2.688405 -4.656455 0.000000\n2.688405 4.656455 -0.000000\n-0.000000 0.000000 4.384799\nAl Fe\n6 2\ndirect\n0.343395 0.171697 0.249980 Al\n0.828305 0.171697 0.249980 Al\n0.828305 0.656607 0.249980 Al\n0.656607 0.828305 0.750020 Al\n0.171697 0.828305 0.750020 Al\n0.171697 0.343395 0.750020 Al\n0.666668 0.333334 0.749892 Fe\n0.333334 0.666668 0.250108 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 4.1381138254960685,
"density_atomic": 0.07287191736275443,
"volume": 109.78165923885625,
"volume_molar": 8.264007560034335,
"formula_full": "Al6 Fe2",
"formula_reduced": "Al3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0797059750000004,
"spacegroup": 194
},
{
"id": "jvasp-112610",
"created_at": "2022-09-04T14:38:42.151566Z",
"updated_at": "2022-09-04T14:38:42.151600Z",
"structure_string": "Al12 Fe7\n1.0\n4.615034 -0.020751 1.267996\n0.724639 6.303184 0.244025\n0.009831 0.000018 8.726940\nAl Fe\n12 7\ndirect\n0.412333 0.460346 0.302251 Al\n0.506926 0.992454 0.831599 Al\n0.493073 0.007546 0.168403 Al\n0.009826 0.294763 0.174888 Al\n0.687967 0.336207 0.968347 Al\n0.312032 0.663793 0.031655 Al\n0.990173 0.705237 0.825113 Al\n0.601968 0.186538 0.514419 Al\n0.961214 0.869707 0.292533 Al\n0.038785 0.130293 0.707468 Al\n0.587666 0.539654 0.697750 Al\n0.398032 0.813461 0.485582 Al\n0.163830 0.479044 0.584665 Fe\n0.225134 0.350799 0.883703 Fe\n0.774865 0.649201 0.116298 Fe\n0.144711 0.153818 0.414875 Fe\n0.855288 0.846182 0.585126 Fe\n0.000000 0.000000 0.000000 Fe\n0.836169 0.520956 0.415336 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 4.67392835674482,
"density_atomic": 0.07482844920020483,
"volume": 253.91412227674485,
"volume_molar": 8.047929396328469,
"formula_full": "Al12 Fe7",
"formula_reduced": "Al12Fe7",
"formula_anonymous": "A7B12",
"energy_above_hull": 2.921933268421053,
"spacegroup": 2
},
{
"id": "jvasp-15000",
"created_at": "2022-09-04T14:35:52.250227Z",
"updated_at": "2022-09-04T14:35:52.250243Z",
"structure_string": "Al1 Fe1\n1.0\n2.874732 0.000000 0.000000\n0.000000 2.874732 0.000000\n0.000000 -0.000000 2.874732\nAl Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 5.789306190982623,
"density_atomic": 0.08418561824792968,
"volume": 23.75702693196275,
"volume_molar": 7.153408011169531,
"formula_full": "Al1 Fe1",
"formula_reduced": "AlFe",
"formula_anonymous": "AB",
"energy_above_hull": 1.5256791499999998,
"spacegroup": 221
},
{
"id": "jvasp-18825",
"created_at": "2022-09-04T14:35:57.602866Z",
"updated_at": "2022-09-04T14:35:57.602891Z",
"structure_string": "Al2 Fe4\n1.0\n4.079374 -0.000000 2.355227\n1.359792 3.846070 2.355227\n0.000000 0.000000 4.710455\nAl Fe\n2 4\ndirect\n0.874999 0.875000 0.875001 Al\n0.125000 0.125000 0.125000 Al\n0.499999 0.500000 0.500000 Fe\n0.499999 0.500000 0.000001 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 6.231503742754728,
"density_atomic": 0.081185352979788,
"volume": 73.90495674131967,
"volume_molar": 7.417767539298965,
"formula_full": "Al2 Fe4",
"formula_reduced": "AlFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4927546,
"spacegroup": 227
}
]
}